3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide

C18H24N4O2 — CID 119452479

IUPAC3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide
SMILESCC(C)(C)Cc1nc(-c2cccc(C(=O)NC3CCNC3)c2)no1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)10-15-21-16(22-24-15)12-5-4-6-13(9-12)17(23)20-14-7-8-19-11-14/h4-6,9,14,19H,7-8,10-11H2,1-3H3,(H,20,23)
InChIKeyWSMSTAGSFRZONC-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.42
Rot. Bonds4

About 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide

3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide (PubChem CID 119452479) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide
PubChem CID119452479
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide
SMILESCC(C)(C)Cc1nc(-c2cccc(C(=O)NC3CCNC3)c2)no1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)10-15-21-16(22-24-15)12-5-4-6-13(9-12)17(23)20-14-7-8-19-11-14/h4-6,9,14,19H,7-8,10-11H2,1-3H3,(H,20,23)
InChIKeyWSMSTAGSFRZONC-UHFFFAOYSA-N
XLogP2.42
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557781
2-[[3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]benzoyl]-methylamino]acetic acid
CID 119346450
N-(2-amino-5-fluorophenyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 167918481
methyl 3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841833
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 146132939
(3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 95228881
3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79688346
3-N-[(3S)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79689469
N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride
CID 119655283
N-cyclopentyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973288
3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 164553956
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide (CID 119452479) is 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide is CC(C)(C)Cc1nc(-c2cccc(C(=O)NC3CCNC3)c2)no1.
What is the InChIKey of 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide?
The InChIKey is WSMSTAGSFRZONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(2,3)10-15-21-16(22-24-15)12-5-4-6-13(9-12)17(23)20-14-7-8-19-11-14/h4-6,9,14,19H,7-8,10-11H2,1-3H3,(H,20,23).
What are the key properties of 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide?
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide has a molecular weight of 328.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119452479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).